SCHEMBL5197854

SCHEMBL5197854

O=C(O)N1CCC(C(=O)OCC2c3ccccc3-c3ccccc32)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.47
SIGMAR1 Q99720 3/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
HSD11B1 P28845 5/20 0.42
LMNA P02545 1/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
SLC22A1 O15245 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
TET3 O43151 1/20 0.41
FBXL19 Q6PCT2 1/20 0.41
CXXC5 Q7LFL8 1/20 0.41
KDM2B Q8NHM5 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5221990 0.92 MEN1 (0.49) OPRM1KMT2AMEN1RAB9AOPRD1
SCHEMBL3015083 0.89 MEN1 (0.43) OPRM1KMT2AMEN1RAB9AOPRD1
SCHEMBL4870754 0.86 TET3 (0.50) OPRM1SIGMAR1KMT2AHSD11B1TET3
SCHEMBL4879638 0.84 APP (0.43) OPRM1KMT2AHSD11B1TET3FBXL19
SCHEMBL4873237 0.78 HSD11B1 (0.43) OPRM1KMT2AMEN1RAB9AHSD11B1
SCHEMBL119410 0.78 KMT2A (0.49) OPRM1KMT2AMEN1RAB9AHSD11B1
SCHEMBL22960725 0.75 KMT2A (0.42) OPRM1KMT2AMEN1RAB9ALMNA
SCHEMBL30089214 0.75 KMT2A (0.42) OPRM1KMT2AMEN1RAB9ALMNA
SCHEMBL3015079 0.75 KMT2A (0.42) OPRM1KMT2AMEN1RAB9AHSD11B1
SCHEMBL3219970 0.75 FABP5 (0.49) KMT2ARAB9ALMNAOPRD1FABP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP disclosed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 WO disclosed